propan-2-yl 2-[2-(4-methylpyridin-1-ium-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: propan-2-yl 2-[2-(4-methylpyridin-1-ium-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: isopropyl 2-[[2-(4-methylpyridin-1-ium-1-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(4-methyl-1-pyridin-1-iumyl)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[2-(4-methylpyridin-1-ium-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(4-methylpyridin-1-ium-1-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid isopropyl ester Formula: C20H25N2O3S+ MolecularWeight: 373.4891

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C=C1)CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC(C)C

Isomeric SMILES

CC1=CC=[N+](C=C1)CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC(C)C

InChI

InChI=1S/C20H24N2O3S/c1-13(2)25-20(24)18-15-6-4-5-7-16(15)26-19(18)21-17(23)12-22-10-8-14(3)9-11-22/h8-11,13H,4-7,12H2,1-3H3/p+1